Iralukast
TL;DR: Iralukast (CAS 151581-24-7) is a chemical compound with molecular formula C38H37F3O8S and molecular weight 710.2161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[(1R,2S,3E,5Z)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]deca-3,5-dien-2-yl]sulfanyl-4-oxochromene-2-carboxylic acid
Also Known As: Iralukast, iralukastum, Iralukast [INN], Iralkast, Iralukast (CGP 45715A)
Technical Specifications
| Molecular Formula | C38H37F3O8S |
| Molecular Weight | 710.2161 g/mol |
| XLogP | 8.6 |
| Topological Polar Surface Area (TPSA) | 156.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 710.2161 Da |
| Heavy Atoms | 50 |
| Complexity | 1230.0 |
| SMILES | CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC/C=C\C=C\[C@@H]([C@@H](C2=CC(=CC=C2)C(F)(F)F)O)SC3=CC4=C(C=C3)C(=O)C=C(O4)C(=O)O |
| InChIKey | IXJCHVMUTFCRBH-SDUHDBOFSA-N |
Chemical Property Profile of Iralukast
Property Insights of Iralukast
The XLogP value of 8.6 indicates that Iralukast is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.0 Ų indicates high polarity, suggesting Iralukast may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iralukast has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Iralukast?
The CAS number of Iralukast is 151581-24-7.
What is the molecular formula of Iralukast?
The molecular formula of Iralukast is C38H37F3O8S.
What is the molecular weight of Iralukast?
The molecular weight of Iralukast is 710.2161 g/mol.
Where can I buy Iralukast?
You can request a quote for Iralukast directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Iralukast?
Yes, CoreyChem provides custom synthesis services for Iralukast and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.